6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine

C32H31N5OS — CID 145248631

IUPAC6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine
SMILESCC1=C(c2cc3c(-c4ccc(C)s4)nccc3[nH]2)c2cc(-c3cncc(OC4CCCCC4)c3)cnc2NC1
InChIInChI=1S/C32H31N5OS/c1-19-15-35-32-26(13-22(17-36-32)21-12-24(18-33-16-21)38-23-6-4-3-5-7-23)30(19)28-14-25-27(37-28)10-11-34-31(25)29-9-8-20(2)39-29/h8-14,16-18,23,37H,3-7,15H2,1-2H3,(H,35,36)
InChIKeyHKJAQYGOFNTXOI-UHFFFAOYSA-N
MW533.70 g/mol
LogP8.02
Rot. Bonds5

About 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine

6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine (PubChem CID 145248631) has the molecular formula C32H31N5OS and a molecular weight of 533.70 g/mol. Its IUPAC name is 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine.

Molecular Properties

Compound Name6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine
PubChem CID145248631
Molecular FormulaC32H31N5OS
Molecular Weight533.70 g/mol
Exact Mass533.22
IUPAC Name6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine
SMILESCC1=C(c2cc3c(-c4ccc(C)s4)nccc3[nH]2)c2cc(-c3cncc(OC4CCCCC4)c3)cnc2NC1
InChIInChI=1S/C32H31N5OS/c1-19-15-35-32-26(13-22(17-36-32)21-12-24(18-33-16-21)38-23-6-4-3-5-7-23)30(19)28-14-25-27(37-28)10-11-34-31(25)29-9-8-20(2)39-29/h8-14,16-18,23,37H,3-7,15H2,1-2H3,(H,35,36)
InChIKeyHKJAQYGOFNTXOI-UHFFFAOYSA-N
XLogP8.02
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.70
LogP ≤ 58.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-ethylpyridin-2-amine
CID 23646992
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-cyclopropylpyridin-2-amine
CID 23646993
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-benzylpyridin-2-amine
CID 23646994
4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]-N-methylpyridin-2-amine
CID 23646991
N-(3-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)-1,3-thiazol-2-amine
CID 10216834
4-N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)pyrimidine-2,4-diamine
CID 10238471
1-{4-[(E)-2-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}ethenyl]pyridin-2-yl}-1H-indole
CID 23646995
3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647539
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[2,3-c]pyridin-2-amine
CID 44412808
N-[(2S)-1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-yl]thieno[3,2-c]pyridin-2-amine
CID 44412822
2-(phenoxymethyl)-6-(3-propan-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 155548368

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?
The IUPAC name of 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine (CID 145248631) is 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine.
What is the SMILES notation for 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?
The canonical SMILES for 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine is CC1=C(c2cc3c(-c4ccc(C)s4)nccc3[nH]2)c2cc(-c3cncc(OC4CCCCC4)c3)cnc2NC1.
What is the InChIKey of 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?
The InChIKey is HKJAQYGOFNTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N5OS/c1-19-15-35-32-26(13-22(17-36-32)21-12-24(18-33-16-21)38-23-6-4-3-5-7-23)30(19)28-14-25-27(37-28)10-11-34-31(25)29-9-8-20(2)39-29/h8-14,16-18,23,37H,3-7,15H2,1-2H3,(H,35,36).
What are the key properties of 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine?
6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine has a molecular weight of 533.70 g/mol, XLogP of 8.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclohexyloxy-3-pyridinyl)-3-methyl-4-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1,2-dihydro-1,8-naphthyridine is sourced from PubChem (CID 145248631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).